CID 3057790

Isoquinoline, 1,2,3,4-tetrahydro-8-(2-methoxyphenyl)-2-(phenylmethyl)-, hydrochloride

Structural Information

Molecular Formula
C23H23NO
SMILES
COC1=CC=CC=C1C2=CC=CC3=C2CN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C23H23NO/c1-25-23-13-6-5-11-21(23)20-12-7-10-19-14-15-24(17-22(19)20)16-18-8-3-2-4-9-18/h2-13H,14-17H2,1H3
InChIKey
BIOIKPNQLUHHLY-UHFFFAOYSA-N
Compound name
2-benzyl-8-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

329.17798 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.185256 181.2
[M+Na]+ 352.167198 187.0
[M-H]- 328.170704 189.3
[M+NH4]+ 347.211803 193.9
[M+K]+ 368.141138 180.4
[M+H-H2O]+ 312.175240 170.0
[M+HCOO]- 374.176181 199.2
[M+CH3COO]- 388.191831 190.8
[M+Na-2H]- 350.152646 185.4
[M]+ 329.17743142 179.1
[M]- 329.17852858 179.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe